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4-Hydroxy-3,5,6-trimethyl-4-[(1E)-3-oxo-1-butenyl]-2-cyclohexen-1-one
SpectraBase Compound ID 34oVwtMC0fz
InChI InChI=1S/C13H18O3/c1-8-7-12(15)10(3)11(4)13(8,16)6-5-9(2)14/h5-7,10-11,16H,1-4H3/b6-5+
InChIKey IDUJXWVBKIRUFN-AATRIKPKSA-N
Mol Weight 222.28 g/mol
Molecular Formula C13H18O3
Exact Mass 222.125594 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6nQzGGUQIFQ
Name 4-Hydroxy-3,5,6-trimethyl-4-[(1E)-3-oxo-1-butenyl]-2-cyclohexen-1-one
CAS Registry Number 77846-84-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H18O3
InChI InChI=1S/C13H18O3/c1-8-7-12(15)10(3)11(4)13(8,16)6-5-9(2)14/h5-7,10-11,16H,1-4H3/b6-5+
InChIKey IDUJXWVBKIRUFN-AATRIKPKSA-N
Molecular Weight 222.284 g/mol
SMILES OC1(C(C(C)C(C=C1C)=O)C)\C=C\C(C)=O
SPLASH splash10-00di-7900000000-6e31b77652757348d8a7
Source of Spectrum W5-0-0-0
Synonyms 2-Cyclohexen-1-one, 4-hydroxy-3,5,6-trimethyl-4-(3-oxo-1-butenyl)- 3,5,6-trimethyl-4-oxidanyl-4-[(E)-3-oxidanylidenebut-1-enyl]cyclohex-2-en-1-one 4-Hydroxy-3,5,6-trimethyl-4-[(E)-3-oxobut-1-enyl]-1-cyclohex-2-enone 4-Hydroxy-3,5,6-trimethyl-4-[(E)-3-oxobut-1-enyl]cyclohex-2-en-1-one 4-Hydroxy-4-[(E)-3-ketobut-1-enyl]-3,5,6-trimethyl-cyclohex-2-en-1-one
Wiley ID 1222526